ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea

C37H71N7O7 — CID 144981494

IUPACethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea
SMILESCC.CCCCC(=O)NC(C(=O)NCC(=O)Nc1ccc(COC(=O)N(C)CCN(C)C)cc1)C(C)C.CCCNC(N)=O.COCCC(C)C
InChIInChI=1S/C25H41N5O5.C6H14O.C4H10N2O.C2H6/c1-7-8-9-21(31)28-23(18(2)3)24(33)26-16-22(32)27-20-12-10-19(11-13-20)17-35-25(34)30(6)15-14-29(4)5;1-6(2)4-5-7-3;1-2-3-6-4(5)7;1-2/h10-13,18,23H,7-9,14-17H2,1-6H3,(H,26,33)(H,27,32)(H,28,31);6H,4-5H2,1-3H3;2-3H2,1H3,(H3,5,6,7);1-2H3
InChIKeyKQDICDWKVGUJMZ-UHFFFAOYSA-N
MW726.02 g/mol
LogP4.97
Rot. Bonds19

About ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea

ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea (PubChem CID 144981494) has the molecular formula C37H71N7O7 and a molecular weight of 726.02 g/mol. Its IUPAC name is ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea.

Molecular Properties

Compound Nameethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea
PubChem CID144981494
Molecular FormulaC37H71N7O7
Molecular Weight726.02 g/mol
Exact Mass725.54
IUPAC Nameethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea
SMILESCC.CCCCC(=O)NC(C(=O)NCC(=O)Nc1ccc(COC(=O)N(C)CCN(C)C)cc1)C(C)C.CCCNC(N)=O.COCCC(C)C
InChIInChI=1S/C25H41N5O5.C6H14O.C4H10N2O.C2H6/c1-7-8-9-21(31)28-23(18(2)3)24(33)26-16-22(32)27-20-12-10-19(11-13-20)17-35-25(34)30(6)15-14-29(4)5;1-6(2)4-5-7-3;1-2-3-6-4(5)7;1-2/h10-13,18,23H,7-9,14-17H2,1-6H3,(H,26,33)(H,27,32)(H,28,31);6H,4-5H2,1-3H3;2-3H2,1H3,(H3,5,6,7);1-2H3
InChIKeyKQDICDWKVGUJMZ-UHFFFAOYSA-N
XLogP4.97
TPSA184.43 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500726.02
LogP ≤ 54.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[2-[[3-methyl-2-[3-[2-[2-[[2-(5-methylhexanoylamino)acetyl]amino]ethoxy]ethoxy]propanoylamino]butanoyl]amino]acetyl]amino]phenyl]methyl N-methyl-N-(3-oxopropyl)carbamate
CID 170406539
[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-methyl-N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]carbamate
CID 138527297
[4-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]acetyl]amino]phenyl]methyl propanoate;propylurea
CID 163250586
[4-[[2-[[2-(butanoylamino)-3-methylbutanoyl]amino]acetyl]amino]phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate
CID 139542635
butan-1-amine;2,6-diamino-N-[2-[[1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]hexanamide;propylurea
CID 171541560
ethane;[4-[[2-[[3-methyl-2-(propan-2-ylamino)butanoyl]amino]acetyl]amino]phenyl]methyl acetate;propylurea
CID 171804817
[4-[[(2S)-2-[[(2S)-2-[4-(2-aminoethoxy)butanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[2-[tert-butyl(methyl)amino]ethyl]-N-methylcarbamate
CID 130456380
N-[1-[[2-(4-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-N'-methyl-N'-(3-methylbutyl)pentanediamide
CID 178093759
[4-[[2-[[3-methyl-2-[[2,2,4,4,6-pentamethyl-6-(3-methylbutoxy)heptanoyl]amino]butanoyl]amino]acetyl]amino]phenyl]methyl acetate;propylurea
CID 167483748
[4-[[2-[[2-(6-aminohexanoylamino)-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate
CID 123403414
tert-butyl N-[2-[[4-[[(2R)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 166778912
4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-[[3-methyl-1-[[2-[4-(2-methylpropanoyloxymethyl)anilino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;ethane;propylurea
CID 170738923

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea?
The IUPAC name of ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea (CID 144981494) is ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea.
What is the SMILES notation for ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea?
The canonical SMILES for ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea is CC.CCCCC(=O)NC(C(=O)NCC(=O)Nc1ccc(COC(=O)N(C)CCN(C)C)cc1)C(C)C.CCCNC(N)=O.COCCC(C)C.
What is the InChIKey of ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea?
The InChIKey is KQDICDWKVGUJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O5.C6H14O.C4H10N2O.C2H6/c1-7-8-9-21(31)28-23(18(2)3)24(33)26-16-22(32)27-20-12-10-19(11-13-20)17-35-25(34)30(6)15-14-29(4)5;1-6(2)4-5-7-3;1-2-3-6-4(5)7;1-2/h10-13,18,23H,7-9,14-17H2,1-6H3,(H,26,33)(H,27,32)(H,28,31);6H,4-5H2,1-3H3;2-3H2,1H3,(H3,5,6,7);1-2H3.
What are the key properties of ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea?
ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea has a molecular weight of 726.02 g/mol, XLogP of 4.97, 19 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-3-methylbutane;[4-[[2-[[3-methyl-2-(pentanoylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate;propylurea is sourced from PubChem (CID 144981494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).